Acetyl-d(ile-arg-arg-val-trp-arg-his-arg-val-ile)-nh2

Structural Information

Molecular Formula

C₆₅H₁₁₀N₂₆O₁₁

SMILES

CC[C@@H](C)[C@H](C(=O)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CC1=CN=CN1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]([C@H](C)CC)NC(=O)C

InChI

InChI=1S/C65H110N26O11/c1-10-35(7)50(52(66)93)91-60(101)49(34(5)6)90-56(97)45(23-17-27-79-65(73)74)85-58(99)47(29-39-31-75-32-81-39)87-54(95)42(20-14-24-76-62(67)68)84-57(98)46(28-38-30-80-41-19-13-12-18-40(38)41)88-59(100)48(33(3)4)89-55(96)44(22-16-26-78-64(71)72)83-53(94)43(21-15-25-77-63(69)70)86-61(102)51(36(8)11-2)82-37(9)92/h12-13,18-19,30-36,42-51,80H,10-11,14-17,20-29H2,1-9H3,(H2,66,93)(H,75,81)(H,82,92)(H,83,94)(H,84,98)(H,85,99)(H,86,102)(H,87,95)(H,88,100)(H,89,96)(H,90,97)(H,91,101)(H4,67,68,76)(H4,69,70,77)(H4,71,72,78)(H4,73,74,79)/t35-,36-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m1/s1

InChIKey

LLBDKRQMJPVIGP-RDBHDVDPSA-N

Compound name

(2R,3R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-acetamido-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanamide

Related CIDs

• CID 25084604